Molecular Mechanics-Based Measures of Steric Effects: Customized Code to Compute Ligand Repulsive Energies

Journal of Computational Chemistry

Volumn 21, Issue 3, 2000, Pages 239-246

  Bubel, Robert J ^a,b   Douglass, Warthen ^a   White, David P ^a  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

^b STATE UNIVERSITY OF NEW YORK   (United States)

Author keywords

Cone angle; ERCODE; Ligand repulsive energy; Molecular mechanics; Solid angle; Steric size

Indexed keywords

EID: 0000383611     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(200002)21:3<239::AID-JCC7>3.0.CO;2-0     Document Type: Article

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